SCHEMBL8206912

SCHEMBL8206912

COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C=S)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.58
MMP3 P08254 4/20 0.58
MMP7 P09237 3/20 0.58
MMP13 P45452 1/20 0.58
HTT P42858 1/20 0.54
MMP9 P14780 2/20 0.52
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
GAA P10253 2/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 3/20 0.51
THRB P10828 1/20 0.51
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.50
PKLR P30613 1/20 0.50
RAB9A P51151 1/20 0.50
TSHR P16473 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HCRTR1 O43613 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8206472 0.96 LMNA (0.55) MMP1MMP3MMP7MMP13HTT
SCHEMBL8211439 0.96 LMNA (0.55) MMP1MMP3MMP7MMP13HTT
SCHEMBL8207819 0.88 MMP1 (0.59) MMP1MMP3MMP7MMP13HTT
SCHEMBL8207084 0.87 MMP1 (0.58) MMP1MMP3MMP7MMP13HTT
SCHEMBL8212961 0.84 TSHR (0.58) MMP1MMP3MMP7MMP13MMP9
SCHEMBL8209735 0.81 MMP1 (0.55) MMP1MMP3MMP7MMP13HTT
SCHEMBL8206916 0.81 MMP1 (0.64) MMP1MMP3MMP7MMP13HTT
SCHEMBL8199984 0.81 MMP1 (0.60) MMP1MMP3MMP7MMP13MMP9
SCHEMBL16254914 0.81 PSEN1 (0.69) MMP1MMP3MMP7MMP13HTT
SCHEMBL13037004 0.77 PSEN1 (0.71) MMP1MMP3MMP7MMP13HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6121272-A Bidentate metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY (US) 2000-09-19 US disclosed